RESUMEN

The dye of azo compound is prepared by coupling reaction of dizonium salt of sulfanilamide with benzoylacetone. The product is characterized by FTIR spectroscopy, Mass spectroscopy and 1H NMR spectroscopy. The geometries of the synthesized dye is optimized using B3LYP method and 6-31G (d,p) basis sets. Nonlinear optical properties are investigated theoretically by calculation of some quantum chemical descriptors using the DFT/B3LYP method with a 6-31G(d,p) basis set in comparison with urea as a standard. The UV-visible spectrum of synthesized azo dye are calculated using TD-DFT with B3LYP/6-31G(d,p) level. The nonlinear refractive index of the prepared dye is calculated via the diffraction ring patterns and Z-scan techniques using 473 nm visible, continuous wave laser light. The diffraction ring patterns are numerically simulated using the Fresnel-Kirchhoff theory with reasonable agreements. The property of optical limiting of the azo dye is tested.